| CAS Number | 1261958-40-0 |
| Catalog Number | AG000S8F(AGN-PC-0WABN8) |
| Chemical Name | 6-(3-Benzyloxyphenyl)picolinic acid |
| IUPAC Name | 6-(3-phenylmethoxyphenyl)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C19H15NO3/c21-19(22)18-11-5-10-17(20-18)15-8-4-9-16(12-15)23-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,21,22) |
| InChI Key | MYCOOKAPIOCXQO-UHFFFAOYSA-N |
| MDL Number | MFCD18318593 |
| Molecular Formula | C19H15NO3 |
| Molecular Weight | 305.3273 |
| SMILES | OC(=O)c1cccc(n1)c1cccc(c1)OCc1ccccc1 |
| Synonyms | 6-(3-Benzyloxyphenyl)picolinic acid,
1261958-40-0,
6-(3-(Benzyloxy)phenyl)picolinic acid,
ACMC-209b7r,
CTK8A9817,
DTXSID60688424,
ANW-18805,
MFCD18318593,
ZINC65349140,
AJ-115375,
TC-107550,
Z9217,
B-6959,
6-[3-(Benzyloxy)phenyl]pyridine-2-carboxylic acid,
2-Pyridinecarboxylic acid, 6-[3-(phenylmethoxy)phenyl]-,
C19H15NO3,
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| Complexity | 381 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.333g/mol |
| Monoisotopic Mass | 305.105g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number